2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine

C15H33N3 — CID 54985868

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine
SMILESCCC(CC)C(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-14(6-2)15(11-16)18-9-7-13(8-10-18)12-17(3)4/h13-15H,5-12,16H2,1-4H3
InChIKeyKAJZWVKQBUJIDR-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.02
Rot. Bonds7

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine (PubChem CID 54985868) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine
PubChem CID54985868
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine
SMILESCCC(CC)C(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-14(6-2)15(11-16)18-9-7-13(8-10-18)12-17(3)4/h13-15H,5-12,16H2,1-4H3
InChIKeyKAJZWVKQBUJIDR-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 54985774
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine
CID 55063596
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
CID 65233248
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine
CID 62430609
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62414478
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine
CID 79409791
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 62996489
2-(3-chloro-4-methylphenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 106817340
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822217
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601
2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine
CID 62861474

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine (CID 54985868) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine is CCC(CC)C(CN)N1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine?
The InChIKey is KAJZWVKQBUJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-14(6-2)15(11-16)18-9-7-13(8-10-18)12-17(3)4/h13-15H,5-12,16H2,1-4H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine is sourced from PubChem (CID 54985868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).